5,7-dimethyl-3-(phenylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-2-amine bromide

Systemtic Name: 5,7-dimethyl-3-(phenylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-2-amine bromide Openeye Name: 3-benzyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-2-amine bromide CAS Name: 5,7-dimethyl-3-(phenylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-2-amine bromide IUPAC Name: 3-benzyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-2-amine bromide Traditional Name: (3-benzyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-2-yl)amine bromide Formula: C14H16BrN5 MolecularWeight: 334.21434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+]2C(=N1)N(C(=N2)N)CC3=CC=CC=C3)C.[Br-]

Isomeric SMILES

CC1=CC(=[N+]2C(=N1)N(C(=N2)N)CC3=CC=CC=C3)C.[Br-]

InChI

InChI=1S/C14H16N5.BrH/c1-10-8-11(2)19-14(16-10)18(13(15)17-19)9-12-6-4-3-5-7-12;/h3-8H,9H2,1-2H3,(H2,15,17);1H/q+1;/p-1